Molecule

ID:87853

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇Cl₄N
Molecular Mass
294.99198
Exact Mass
292.93325995
Charge
0
InChI
InChI=1S/C11H7Cl4N/c1-6-2-3-9-7(4-6)8(12)5-10(16-9)11(13,14)15/h2-5H,1H3
InChIKey
GERDLAGWORVXDD-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)c(Cl)cc(n2)C(Cl)(Cl)Cl
Isomeric Smiles
n1c(cc(c2cc(ccc12)C)Cl)C(Cl)(Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.1320786
LogD (pH = 7.4)
5.1321244
Log P
5.132125
Molar Refractivity
69.9314
Polarizability
27.955738
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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